5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one

C23H19N3O3 — CID 134413106

IUPAC5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one
SMILESC=CC(=O)N1CC(n2[nH]c3ccc(-c4cc(O)cc5ccccc45)cc3c2=O)C1
InChIInChI=1S/C23H19N3O3/c1-2-22(28)25-12-16(13-25)26-23(29)20-10-15(7-8-21(20)24-26)19-11-17(27)9-14-5-3-4-6-18(14)19/h2-11,16,24,27H,1,12-13H2
InChIKeyOIZHPMFCJBONGB-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.42
Rot. Bonds3

About 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one

5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one (PubChem CID 134413106) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one.

Molecular Properties

Compound Name5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one
PubChem CID134413106
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one
SMILESC=CC(=O)N1CC(n2[nH]c3ccc(-c4cc(O)cc5ccccc45)cc3c2=O)C1
InChIInChI=1S/C23H19N3O3/c1-2-22(28)25-12-16(13-25)26-23(29)20-10-15(7-8-21(20)24-26)19-11-17(27)9-14-5-3-4-6-18(14)19/h2-11,16,24,27H,1,12-13H2
InChIKeyOIZHPMFCJBONGB-UHFFFAOYSA-N
XLogP3.42
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[6-[[(2S)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]-1,2-dihydroindazol-3-one
CID 22877929
5-[2-[6-[(5,6-Dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]-1,2-dihydroindazol-3-one
CID 22906068
1-[3-(6-hydroxynaphthalen-2-yl)butanoyl]-2H-indazol-3-one
CID 25026040
5-[2-[6-(2-Amino-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexylamino]ethyl]-1,2-dihydroindazol-3-one
CID 67716584
5-[2-[2-(5,6-Dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-hexylhydrazinyl]ethyl]-1,2-dihydroindazol-3-one
CID 67716588
5-(3-Hydroxynaphthalen-1-yl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one
CID 134413093
5-(3-Hydroxynaphthalen-1-yl)-1-methyl-2-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
CID 134413099
Tert-butyl 3-[5-(3-hydroxynaphthalen-1-yl)-1-methyl-3-oxoindazol-2-yl]azetidine-1-carboxylate
CID 134413841
Tert-butyl 4-[5-(3-hydroxynaphthalen-1-yl)-2-methyl-3-oxoindazol-1-yl]piperidine-1-carboxylate
CID 134413845
6-(3-Hydroxynaphthalen-1-yl)-2-methyl-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
CID 134492591
6-(3-hydroxynaphthalen-1-yl)-5-isocyano-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 140869595
7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one
CID 141034898

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one?
The IUPAC name of 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one (CID 134413106) is 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one.
What is the SMILES notation for 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one?
The canonical SMILES for 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one is C=CC(=O)N1CC(n2[nH]c3ccc(-c4cc(O)cc5ccccc45)cc3c2=O)C1.
What is the InChIKey of 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one?
The InChIKey is OIZHPMFCJBONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-22(28)25-12-16(13-25)26-23(29)20-10-15(7-8-21(20)24-26)19-11-17(27)9-14-5-3-4-6-18(14)19/h2-11,16,24,27H,1,12-13H2.
What are the key properties of 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one?
5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one has a molecular weight of 385.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-indazol-3-one is sourced from PubChem (CID 134413106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).